UCSF

ZINC17029280

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 26 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 2.58 -48.76 1 7 -1 104 351.338 3
Hi High (pH 8-9.5) 2.04 3.61 -103.94 0 7 -2 107 350.33 3
Hi High (pH 8-9.5) 2.04 3.52 -103.65 0 7 -2 107 350.33 3
Lo Low (pH 4.5-6) 1.59 5.25 -12.68 2 7 0 101 352.346 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )